1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide

C10H18F3N3O — CID 114081796

IUPAC1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC(N)C(N1CCC(C)(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-6(14)7(10(11,12)13)16-4-3-9(2,5-16)8(15)17/h6-7H,3-5,14H2,1-2H3,(H2,15,17)
InChIKeyBOPZWJWLNPOKSU-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.46
Rot. Bonds3

About 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide

1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 114081796) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID114081796
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC(N)C(N1CCC(C)(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-6(14)7(10(11,12)13)16-4-3-9(2,5-16)8(15)17/h6-7H,3-5,14H2,1-2H3,(H2,15,17)
InChIKeyBOPZWJWLNPOKSU-UHFFFAOYSA-N
XLogP0.46
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317757
4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
CID 63603323
3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide
CID 114070516
3-amino-2-(trifluoromethyl)butanamide;hydrochloride
CID 174921174
[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776412
2-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 114082415
2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine
CID 62935989
1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol
CID 131042951
1-[(3-amino-2-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 114081797
1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide
CID 114082238
3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 65064069
1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151013

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide (CID 114081796) is 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide is CC(N)C(N1CCC(C)(C(N)=O)C1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is BOPZWJWLNPOKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-6(14)7(10(11,12)13)16-4-3-9(2,5-16)8(15)17/h6-7H,3-5,14H2,1-2H3,(H2,15,17).
What are the key properties of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide?
1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114081796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).